CID 106725

4,7-methano-1h-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(C1CC2CC1C3C2CC=C3)OCC
InChI
InChI=1S/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5,7,10-15H,3-4,6,8-9H2,1-2H3
InChIKey
NFJHOPJJPMLCRF-UHFFFAOYSA-N
Compound name
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

236.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 162.8
[M+Na]+ 259.166848 168.6
[M-H]- 235.170354 166.2
[M+NH4]+ 254.211453 188.4
[M+K]+ 275.140788 166.3
[M+H-H2O]+ 219.174890 158.9
[M+HCOO]- 281.175831 181.9
[M+CH3COO]- 295.191481 194.8
[M+Na-2H]- 257.152296 161.4
[M]+ 236.17708142 165.1
[M]- 236.17817858 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe